Materials Data on Ce3Ho by Materials Project

Abstract

HoCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Ce atoms to form HoCe12 cuboctahedra that share corners with four equivalent HoCe12 cuboctahedra, corners with eight equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen equivalent CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and eight longer (3.41 Å) Ho–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Ho and eight Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with twelve equivalent CeCe8Ho4 cuboctahedra, edges with eight equivalent HoCe12 cuboctahedra, edges with sixteen CeCe8Ho4 cuboctahedra, faces with four equivalent HoCe12 cuboctahedra, and faces with fourteen CeCe8Ho4 cuboctahedra. There are four shorter (3.38 Å) and four longer (3.41 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Ho and eight equivalent Ce atoms to form CeCe8Ho4 cuboctahedra that share corners with four equivalent CeCe8Ho4 cuboctahedra, corners with eight equivalent HoCe12 cuboctahedra, edges with twenty-four CeCe8Ho4 cuboctahedra, faces with six equivalent HoCe12 cuboctahedra, and faces with twelve CeCe8Ho4 cuboctahedra.